4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide

C16H21NO2S — CID 109468303

IUPAC4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide
SMILESCCN(CCO)C(=O)CCCc1csc2ccccc12
InChIInChI=1S/C16H21NO2S/c1-2-17(10-11-18)16(19)9-5-6-13-12-20-15-8-4-3-7-14(13)15/h3-4,7-8,12,18H,2,5-6,9-11H2,1H3
InChIKeySJIJBSPATIYGKO-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.06
Rot. Bonds7

About 4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide

4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide (PubChem CID 109468303) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide
PubChem CID109468303
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide
SMILESCCN(CCO)C(=O)CCCc1csc2ccccc12
InChIInChI=1S/C16H21NO2S/c1-2-17(10-11-18)16(19)9-5-6-13-12-20-15-8-4-3-7-14(13)15/h3-4,7-8,12,18H,2,5-6,9-11H2,1H3
InChIKeySJIJBSPATIYGKO-UHFFFAOYSA-N
XLogP3.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide
CID 115771813
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide
CID 54942944
N-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride
CID 119629500
2-(1-benzothiophen-3-yl)-N-(2,2-dimethoxyethyl)-N-ethylacetamide
CID 136559478
N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119433107
4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide
CID 78897631
2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol
CID 63738491
5-(1-benzothiophen-3-yl)pentan-2-ol
CID 64516739
1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-one
CID 105084973
3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide?
The IUPAC name of 4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide (CID 109468303) is 4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide is CCN(CCO)C(=O)CCCc1csc2ccccc12.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide?
The InChIKey is SJIJBSPATIYGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-2-17(10-11-18)16(19)9-5-6-13-12-20-15-8-4-3-7-14(13)15/h3-4,7-8,12,18H,2,5-6,9-11H2,1H3.
What are the key properties of 4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide?
4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide has a molecular weight of 291.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 109468303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).